1-(4-methoxyphenyl)-5-phenyl-3-(trifluoromethyl)pyrazole

C17H13F3N2O — CID 10336007

IUPAC1-(4-methoxyphenyl)-5-phenyl-3-(trifluoromethyl)pyrazole
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2)cc1
InChIInChI=1S/C17H13F3N2O/c1-23-14-9-7-13(8-10-14)22-15(12-5-3-2-4-6-12)11-16(21-22)17(18,19)20/h2-11H,1H3
InChIKeyFSRWGGJHLUEBHK-UHFFFAOYSA-N
MW318.30 g/mol
LogP4.57
Rot. Bonds3

About 1-(4-methoxyphenyl)-5-phenyl-3-(trifluoromethyl)pyrazole

1-(4-methoxyphenyl)-5-phenyl-3-(trifluoromethyl)pyrazole (PubChem CID 10336007) has the molecular formula C17H13F3N2O and a molecular weight of 318.30 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-phenyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-phenyl-3-(trifluoromethyl)pyrazole
PubChem CID10336007
Molecular FormulaC17H13F3N2O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name1-(4-methoxyphenyl)-5-phenyl-3-(trifluoromethyl)pyrazole
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2)cc1
InChIInChI=1S/C17H13F3N2O/c1-23-14-9-7-13(8-10-14)22-15(12-5-3-2-4-6-12)11-16(21-22)17(18,19)20/h2-11H,1H3
InChIKeyFSRWGGJHLUEBHK-UHFFFAOYSA-N
XLogP4.57
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-phenyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(4-methoxyphenyl)-5-phenyl-3-(trifluoromethyl)pyrazole (CID 10336007) is 1-(4-methoxyphenyl)-5-phenyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-phenyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(4-methoxyphenyl)-5-phenyl-3-(trifluoromethyl)pyrazole is COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-phenyl-3-(trifluoromethyl)pyrazole?
The InChIKey is FSRWGGJHLUEBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O/c1-23-14-9-7-13(8-10-14)22-15(12-5-3-2-4-6-12)11-16(21-22)17(18,19)20/h2-11H,1H3.
What are the key properties of 1-(4-methoxyphenyl)-5-phenyl-3-(trifluoromethyl)pyrazole?
1-(4-methoxyphenyl)-5-phenyl-3-(trifluoromethyl)pyrazole has a molecular weight of 318.30 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-phenyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 10336007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).